Glycoside
GD131097
Name:
2-{[2-({6-[5-(2H-1,3-benzodioxol-5-yl)-1,4-dioxan-2-yl]-2H-1,3-benzodioxol-5-yl}oxy)-4,5-dihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C36H46O22Smiles:
OCC1OC(OCC2OC(Oc3cc4c(cc3C3COC(c5ccc6c(c5)OCO6)CO3)OCO4)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1OAglycone:
Oc1cc2c(cc1C1COC(c3ccc4c(c3)OCO4)CO1)OCO2Sugarmoiety:
OCC1OC(OCC2OC(O)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 8 |
| HBD: | 10 | FractionCSP3: | 0.67 |
| AlogP: | -4.2 | Num_rotatable_bonds: | 11 |
| MolWt: | 830.74 | Num_heavy_atoms: | 58 |
| TPSA: | 313.06 | NumAromaticRings: | 2 |
Unique Aglycone
AD53120
Formula: C18H16O7
Smiles:
Oc1cc2c(cc1C1COC(c3ccc4c(c3)OCO4)CO1)OCO2| HBA: | 7 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.33 |
| AlogP: | 2.68 | Num_rotatable_bonds: | 2 |
| MolWt: | 344.32 | Num_heavy_atoms: | 25 |
| TPSA: | 75.61 | NumAromaticRings: | 2 |
